4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline

C65H43F12N3 — CID 139321819

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C65H43F12N3/c66-62(67,68)60(63(69,70)71,50-34-38-56(39-35-50)79(52-18-8-2-9-19-52)53-20-10-3-11-21-53)48-30-26-45(27-31-48)58-42-47(44-16-6-1-7-17-44)43-59(78-58)46-28-32-49(33-29-46)61(64(72,73)74,65(75,76)77)51-36-40-57(41-37-51)80(54-22-12-4-13-23-54)55-24-14-5-15-25-55/h1-43H
InChIKeyWSKAWLSSQHSUTE-UHFFFAOYSA-N
MW1094.06 g/mol
LogP19.84
Rot. Bonds13

About 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline

4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline (PubChem CID 139321819) has the molecular formula C65H43F12N3 and a molecular weight of 1094.06 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline
PubChem CID139321819
Molecular FormulaC65H43F12N3
Molecular Weight1094.06 g/mol
Exact Mass1093.33
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline
SMILESFC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C65H43F12N3/c66-62(67,68)60(63(69,70)71,50-34-38-56(39-35-50)79(52-18-8-2-9-19-52)53-20-10-3-11-21-53)48-30-26-45(27-31-48)58-42-47(44-16-6-1-7-17-44)43-59(78-58)46-28-32-49(33-29-46)61(64(72,73)74,65(75,76)77)51-36-40-57(41-37-51)80(54-22-12-4-13-23-54)55-24-14-5-15-25-55/h1-43H
InChIKeyWSKAWLSSQHSUTE-UHFFFAOYSA-N
XLogP19.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.06
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
CID 93126
1,2,4,6-Tetraphenylpyridin-1-ium perchlorate
CID 12477066
2,4,6-Triphenylpyridine
CID 136370
2,4,6-Tris(4-methylphenyl)-1-phenylpyridin-1-ium perchlorate
CID 12627143
2-(4-Methylphenyl)-1,4,6-triphenylpyridin-1-ium perchlorate
CID 12627144
1-Methyl-2,6-bis[2-(4-phenylphenyl)ethyl]pyridin-1-ium
CID 122181622
1,2,4,6-Tetraphenylpyridin-1-ium
CID 3124420
1,2,4,6-Tetraphenylpyridinium tetrafluoroborate
CID 12665546
4-[(E)-2-[1-methyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridin-1-ium-2-yl]ethenyl]-N,N-diphenylaniline iodide
CID 56969707
[4-(4-Fluorophenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-diphenyl-sulfanylidene-lambda5-phosphane
CID 132574433
4-(4-Fluorophenyl)-2,6-diphenylpyridine
CID 629756
2,4-Diphenyl-6-(trifluoromethyl)pyridine
CID 10859522

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline (CID 139321819) is 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline is FC(F)(F)C(c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)n2)cc1)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline?
The InChIKey is WSKAWLSSQHSUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43F12N3/c66-62(67,68)60(63(69,70)71,50-34-38-56(39-35-50)79(52-18-8-2-9-19-52)53-20-10-3-11-21-53)48-30-26-45(27-31-48)58-42-47(44-16-6-1-7-17-44)43-59(78-58)46-28-32-49(33-29-46)61(64(72,73)74,65(75,76)77)51-36-40-57(41-37-51)80(54-22-12-4-13-23-54)55-24-14-5-15-25-55/h1-43H.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline?
4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline has a molecular weight of 1094.06 g/mol, XLogP of 19.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-[4-[6-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-4-phenyl-2-pyridinyl]phenyl]propan-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 139321819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).